Chemical Properties of 2,5-Dimethylfuran-3,4(2H,5H)-dione (CAS 68755-49-7)

InChI

InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3-4H,1-2H3

InChI Key

PUVDDHUFFRRFMN-UHFFFAOYSA-N

Formula

C6H8O3

SMILES

CC1OC(C)C(=O)C1=O

Molecular Weight¹

128.13

CAS

68755-49-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.30	kJ/mol	Joback Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.068		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Inp	[1095.50; 1095.50]
Inp	1095.50		NIST
Inp	1095.50		NIST
Tfus	411.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.90; 336.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.30700e+01
Coefficient B			3.39440e-01
Coefficient C			1.27300e-04
Coefficient D			-1.63200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.90	J/mol×K	273.00	Calculated Property
Cp,gas	161.86	J/mol×K	353.78	Calculated Property
Cp,gas	191.22	J/mol×K	434.56	Calculated Property
Cp,gas	219.47	J/mol×K	515.33	Calculated Property
Cp,gas	246.08	J/mol×K	596.11	Calculated Property
Cp,gas	270.55	J/mol×K	676.89	Calculated Property
Cp,gas	292.35	J/mol×K	757.67	Calculated Property
Cp,gas	310.97	J/mol×K	838.44	Calculated Property
Cp,gas	325.90	J/mol×K	919.22	Calculated Property
Cp,gas	336.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethylfuran-3,4(2H,5H)-dione.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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